title: Modelling the atomic structure of Al92U8 metallic glass.
abstract: The local atomic structure of the glassy Al(92)U(8) alloy was modelled by the reverse Monte Carlo (RMC) method, fitting x-ray diffraction (XRD) and extended x-ray absorption fine structure (EXAFS) signals. The final structural model was analysed by means of partial pair correlation functions, coordination number distributions and Voronoi tessellation. In our study we found that the most probable atomic separations between Al-Al and U-Al pairs in the glassy Al(92)U(8) alloy are 2.7 Å and 3.1 Å with coordination numbers 11.7 and 17.1, respectively. The Voronoi analysis did not support evidence of the existence of well-defined building blocks directly embedded in the amorphous matrix. The dense-random-packing model seems to be adequate for describing the connection between solvent and solute atoms.
authors.affiliation: Institute of Physics, P J Šafárik University in Košice, Park Angelinum 9, 041 54 Košice, Slovakia. stefan.michalik@upjs.sk
authors.forename: S
authors.initials: S
authors.lastname: Michalik
authors.forename: J
authors.initials: J
authors.lastname: Bednarcik
authors.forename: P
authors.initials: P
authors.lastname: Jóvári
authors.forename: V
authors.initials: V
authors.lastname: Honkimäki
authors.forename: A
authors.initials: A
authors.lastname: Webb
authors.forename: H
authors.initials: H
authors.lastname: Franz
authors.forename: E
authors.initials: E
authors.lastname: Fazakas
authors.forename: L K
authors.initials: LK
authors.lastname: Varga
mesh_terms: D000497:Alloys; D017607:Aluminum Compounds / Q000737:chemistry*; D003198:Computer Simulation; D005898:Glass / Q000737:chemistry*; D008958:Models, Molecular; D009010:Monte Carlo Method; D014501:Uranium / Q000737:chemistry*; D056928:X-Ray Absorption Spectroscopy; D014961:X-Ray Diffraction
chemical_list: D000497:Alloys; D017607:Aluminum Compounds; D014501:Uranium